4-[3-[6-oxidanylidene-5-(4-phenyl-1,3-oxazol-2-yl)pyridazin-1-yl]prop-2-ynyl]benzoic acid

Systemtic Name: 4-[3-[6-oxidanylidene-5-(4-phenyl-1,3-oxazol-2-yl)pyridazin-1-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[6-oxo-5-(4-phenyloxazol-2-yl)pyridazin-1-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[6-oxo-5-(4-phenyl-2-oxazolyl)-1-pyridazinyl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[6-oxo-5-(4-phenyl-1,3-oxazol-2-yl)pyridazin-1-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[6-keto-5-(4-phenyloxazol-2-yl)pyridazin-1-yl]prop-2-ynyl]benzoic acid Formula: C23H15N3O4 MolecularWeight: 397.3829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=COC(=N2)C3=CC=NN(C3=O)C#CCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=COC(=N2)C3=CC=NN(C3=O)C#CCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H15N3O4/c27-22-19(21-25-20(15-30-21)17-6-2-1-3-7-17)12-13-24-26(22)14-4-5-16-8-10-18(11-9-16)23(28)29/h1-3,6-13,15H,5H2,(H,28,29)